| Entry |
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| Name |
Diammonium glycyrrhizinate (JAN) |
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| Formula |
C42H62O16. 2NH3
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| Exact mass |
856.4569
|
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| Mol weight |
856.9931
|
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| Structure |
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| Simcomp |
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| Remark |
|
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| Efficacy |
Anti-inflammatory |
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| Target |
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| Pathway |
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| Interaction |
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| Brite |
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
Inorganic and organic chemicals
Glycyrrhizin
D02028 Diammonium glycyrrhizinate (JAN)
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dehydrogenases
HSD11B1
D02028 Diammonium glycyrrhizinate (JAN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 60
1 C1y C 3.8341 -7.1142
2 C1z C 4.5109 -7.4944
3 C1z C 3.1958 -7.4316
4 C5x C 3.8306 -6.3435
5 C1z C 5.1560 -7.0790
6 C1x C 4.5143 -8.2720
7 C1a C 5.2016 -7.8918
8 C1y C 3.1820 -8.2720
9 C1x C 2.5017 -7.1246
10 C2x C 4.5040 -5.9565
11 O5x O 3.1331 -5.9385
12 C2y C 5.1698 -6.3435
13 C1x C 5.8467 -7.4909
14 C1a C 5.6901 -6.5105
15 C1x C 3.8486 -8.6625
16 C1z C 2.5128 -8.6694
17 C1x C 1.8324 -7.5116
18 C1y C 5.8329 -5.9496
19 C1x C 6.4918 -7.1908
20 C1y C 1.8359 -8.2823
21 C1a C 1.7448 -9.1751
22 C1a C 2.5128 -9.6009
23 C1z C 6.5056 -6.3297
24 C1x C 5.8225 -5.1678
25 O2a O 0.4684 -9.1648
26 C1x C 7.1755 -5.9316
27 C1a C 7.1962 -6.7272
28 C1z C 6.4918 -4.7738
29 C1y C 1.7904 -10.8359
30 C1x C 7.1755 -5.1540
31 C6a C 7.1824 -4.3721
32 C1a C 5.9198 -4.2065
33 C1y C 1.7904 -11.6376
34 O2x O 2.4879 -10.4309
35 O6a O 7.8835 -4.7635
36 O6a O 7.1755 -3.7102
37 O2a O 1.0997 -12.0392
38 C1y C 2.4879 -12.0427
39 C1y C 3.1889 -10.8359
40 C1y C 0.4056 -12.4401
41 C1y C 3.1889 -11.6376
42 O1a O 2.4879 -12.8409
43 C6a C 3.8831 -10.4309
44 O2x O -0.2954 -12.0392
45 C1y C 0.4056 -13.2460
46 O1a O 3.8831 -12.0427
47 O6a O 4.5772 -10.8359
48 O6a O 3.8796 -9.6292
49 C1y C -0.9930 -12.4401
50 C1y C -0.2954 -13.6469
51 O1a O 1.0997 -13.6469
52 C1y C -0.9930 -13.2460
53 C6a C -1.6802 -12.0392
54 O1a O -0.2954 -14.4451
55 O1a O -1.6802 -13.6469
56 O6a O -2.2935 -12.5587
57 O6a O -1.6691 -11.2471
58 C1a C 3.1917 -6.5458
59 N0 N 9.6500 -9.5125
60 N0 N 9.6500 -9.5125
BOND 64
1 1 3 1
2 1 4 1
3 2 5 1
4 2 6 1
5 2 7 1 #Up
6 3 8 1
7 3 9 1
8 4 10 1
9 4 11 2
10 5 12 1
11 5 13 1
12 5 14 1 #Down
13 6 15 1
14 8 16 1
15 9 17 1
16 12 18 1
17 13 19 1
18 16 20 1
19 16 21 1
20 16 22 1
21 18 23 1
22 18 24 1
23 20 25 1 #Up
24 23 26 1
25 23 27 1 #Up
26 24 28 1
27 29 25 1 #Up
28 26 30 1
29 28 31 1 #Up
30 28 32 1 #Down
31 29 33 1
32 29 34 1
33 31 35 1
34 31 36 2
35 33 37 1 #Up
36 33 38 1
37 34 39 1
38 40 37 1 #Up
39 38 41 1
40 38 42 1 #Down
41 39 43 1 #Down
42 40 44 1
43 40 45 1
44 41 46 1 #Up
45 43 47 1
46 43 48 2
47 44 49 1
48 45 50 1
49 45 51 1 #Down
50 49 52 1
51 49 53 1 #Up
52 50 54 1 #Up
53 52 55 1 #Down
54 53 56 1
55 53 57 2
56 8 15 1
57 10 12 2
58 17 20 1
59 19 23 1
60 28 30 1
61 39 41 1
62 50 52 1
63 3 58 1 #Up
64 1 2 1
BRACKET 1 9.2700 -10.0100 9.2700 -9.0900
1 10.5100 -9.0900 10.5100 -10.0100
1 2
ORIGINAL 1 62
REPEAT 1 63
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